nickel(2+); 4-[4-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]sulfanylaniline

Systemtic Name: nickel(2+); 4-[4-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]sulfanylaniline Openeye Name: nickelous 4-[4-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]sulfanylaniline CAS Name: nickel(2+); 4-[[4-[1-(2-pyrrol-1-idyl)ethylideneamino]phenyl]thio]aniline IUPAC Name: nickel(2+); 4-[4-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]sulfanylaniline Traditional Name: nickelous [4-[[4-(1-pyrrol-1-id-2-ylethylideneamino)phenyl]thio]phenyl]amine Formula: C36H32N6NiS2 MolecularWeight: 671.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC=C(C=C1)SC2=CC=C(C=C2)N)C3=CC=C[N-]3.CC(=NC1=CC=C(C=C1)SC2=CC=C(C=C2)N)C3=CC=C[N-]3.[Ni+2]

Isomeric SMILES

CC(=NC1=CC=C(C=C1)SC2=CC=C(C=C2)N)C3=CC=C[N-]3.CC(=NC1=CC=C(C=C1)SC2=CC=C(C=C2)N)C3=CC=C[N-]3.[Ni+2]

InChI

InChI=1S/2C18H16N3S.Ni/c2*1-13(18-3-2-12-20-18)21-15-6-10-17(11-7-15)22-16-8-4-14(19)5-9-16;/h2*2-12H,19H2,1H3;/q2*-1;+2