(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile Openeye Name: (E)-2-[4-(4-bromophenyl)thiazol-2-yl]-3-(6-quinolylamino)prop-2-enenitrile CAS Name: (E)-2-[4-(4-bromophenyl)-2-thiazolyl]-3-(6-quinolinylamino)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile Traditional Name: (E)-2-[4-(4-bromophenyl)thiazol-2-yl]-3-(6-quinolylamino)acrylonitrile Formula: C21H13BrN4S MolecularWeight: 433.32372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)Br)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)N/C=C(\C#N)/C3=NC(=CS3)C4=CC=C(C=C4)Br)N=C1

InChI

InChI=1S/C21H13BrN4S/c22-17-5-3-14(4-6-17)20-13-27-21(26-20)16(11-23)12-25-18-7-8-19-15(10-18)2-1-9-24-19/h1-10,12-13,25H/b16-12+